3-phenyl-5,5-dimethyl-5,6-dihydro-1,2,4-triazolo[3,4-a]isoquinoline | 147567-56-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 3-phenyl-5,5-dimethyl-5,6-dihydro-1,2,4-triazolo[3,4-a]isoquinoline
• 英文别名: 5,5-dimethyl-3-phenyl-5,6-dihydro-1,2,4-triazolo[3,4-a]isoquinoline；1,2,4-Triazolo[3,4-a]isoquinoline, 5,6-dihydro-5,5-dimethyl-3-phenyl-；5,5-dimethyl-3-phenyl-6H-[1,2,4]triazolo[3,4-a]isoquinoline
• CAS: 147567-56-4
• 化学式: C₁₈H₁₇N₃
• 分子量: 275.353
• InChiKey: CSCOJYVCYSWDLT-UHFFFAOYSA-N

物化性质

• 沸点：
  470.6±48.0 °C(Predicted)
• 密度：
  1.18±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.3
• 重原子数：
  21
• 可旋转键数：
  1
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.22
• 拓扑面积：
  30.7
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  3-phenyl-5,5-dimethyl-5,6-dihydro-1,2,4-triazolo[3,4-a]isoquinoline 、 copper(II) nitrate trihydrate 以 乙腈 为溶剂， 生成 [Cu(3-phenyl-5,5-dimethyl-5,6-dihydro-1,2,4-triazolo[3,4-a]isoquinoline)2(NO3)2]
  参考文献：
  名称：

  Complexes of Cu(II) and Co(II) nitrates with 3-Phenyl-5,5-dimethyl-5,6-dihydro-1,2,4-triazolo[3,4-a]isoquinoline

  摘要：

  Complexes of Cu(Il) and Co(II) nitrates with 3-phenyl-5,5-dimethyl-5,6-dihydro-1,2,4-triazolo[3,4-alisoquinoline (L-0) of the composition [CuL20 (NO3)(2)] (I) and [CoL20(NO3)(2)] center dot CH3CN are synthesized and their crystal structures are determined by X-ray diffraction. The L-0 ligand is coordinated to the metal atoms through the N atom in position 2 of triazole fragment. The coordination polyhedron of the Cu(II) atom is a square with two additional axial vertices, while that of the Co(II) atom is a tetrahedron with two additional vertices. The NO3- groups in the structures of I and II perform similar anisobidentate function. Complexes I and II are studied by IR and electronic spectroscopy.

  DOI：

  10.1134/s1070328406060030
• 作为产物：
  描述：

  1-methylsulfanyl-3,3-dimethyl-3,4-dihydroisoquinoline 以 甲醇 为溶剂， 反应 3.5h， 生成 3-phenyl-5,5-dimethyl-5,6-dihydro-1,2,4-triazolo[3,4-a]isoquinoline
  参考文献：
  名称：

  3-Aryl-5,5-dimethyl-5,6-dihydro-1,2,4-triazolo[3,4-a]isoquinolines: A new example of atropo isomerism

  摘要：

  DOI：

  10.1007/bf00474507

文献信息

• Synthesis and study of antiinflammatory and analgesic activity of 1-hydrazino-3,3-dialkyl-3,4-dihydroisoquinoline derivatives
  作者：V. A. Glushkov、Yu. V. Shklyaev、G. A. Tul'bovich、R. Z. Dautova、T. I. Kovina、V. A. Safin、N. B. Belogub、E. V. Kudrina、O. A. Maiorova

  DOI：10.1007/bf02471885

  日期：1998.5

  4-dihydroisoquinoline derivafives exhibits a broad spectrum of pharmacological activity [1 -4] , including compounds producing spasmolytic [5], antiarrhythmie and antiaggregative [6], and hypotensive effects [7]. Acid hydrazides and hydrazones of earbonyl compounds constitute another class of substances offering a broad spectrum of biological activity. Therefore, it would be of interest to study the compounds whose

  众所周知，3,4-二氢异喹啉衍生物类具有广泛的药理活性 [1 -4] ，包括产生解痉作用 [5]、抗心律失常和抗凝集作用 [6] 以及降压作用 [7] 的化合物。羰基化合物的酸酰肼和腙构成另一类具有广谱生物活性的物质。因此，研究其分子中包含属于 beth 类的药效基团的化合物将是很有趣的。在本研究中，我们选择了先前描述的化合物，l-腙-3,3-二甲基1,2,3,4-四氢异喹啉 (Ha) [8] 和 1-腙-3,3-四亚甲基-
• Pharmaceutical use of fused 1,2,4-triazoles
  申请人：Andersen Sune Henrik

  公开号：US20060106008A1

  公开（公告）日：2006-05-18

  The use of fused 1,2,4-triazoles for modulating the activity of 11β-hydroxysteroid dehydrogenase type 1 (11βHSD1) and the use of these compounds as pharmaceutical compositions has been described. Also a novel class of fused 1,2,4-triazoles, their use in therapy, pharmaceutical compositions comprising the compounds, as well as their use in the manufacture of medicaments has been described. The present compounds are modulators and more specifically inhibitors of the activity of 11βHSD1 and may be useful in the treatment, prevention and/or prophylaxis of a range of medical disorders where a decreased intracellular concentration of active glucocorticoid is desirable.

  使用熔合的1,2,4-三唑类物质来调节11β-羟基类固醇脱氢酶1型（11βHSD1）的活性以及将这些化合物用作制药组合物已经被描述。同时，还描述了一种新的熔合的1,2,4-三唑类物质，它们在治疗中的使用、包含这些化合物的制药组合物以及它们在制造药物方面的使用。这些化合物是调节剂，更具体地说是11βHSD1的抑制剂，可能在治疗、预防和/或预防一系列医学疾病中有用，其中需要降低细胞内活性糖皮质激素的浓度。
• Pharmaceutical Use of Fused 1,2,4-Triazoles
  申请人：Andersen Henrik Sune

  公开号：US20080153807A1

  公开（公告）日：2008-06-26

  The use of fused 1,2,4-triazoles for modulating the activity of 11β-hydroxysteroid dehydrogenase type 1 (11βHSD1) and the use of these compounds as pharmaceutical compositions has been described. Also a novel class of fused 1,2,4-triazoles, their use in therapy, pharmaceutical compositions comprising the compounds, as well as their use in the manufacture of medicaments has been described. The present compounds are modulators and more specifically inhibitors of the activity of 11βHSD1 and may be useful in the treatment, prevention and/or prophylaxis of a range of medical disorders where a decreased intracellular concentration of active glucocorticoid is desirable.

  使用熔合的1,2,4-三唑类化合物来调节11β-羟基类固醇脱氢酶1型（11βHSD1）的活性，并将这些化合物用作制药组合物的用途已经被描述。同时，还描述了一种新型的熔合的1,2,4-三唑类化合物，它们在治疗中的应用、包含这些化合物的制药组合物，以及它们在制造药物方面的用途。这些化合物是调节剂，更具体地说是11βHSD1的抑制剂，并可用于治疗、预防和/或预防一系列医学疾病，其中需要降低细胞内活性糖皮质激素的浓度。
• PHARMACEUTICAL USE OF FUSED 1,2,4-TRIAZOLES
  申请人：Andersen Henrik Sune

  公开号：US20100197658A1

  公开（公告）日：2010-08-05

  Methods of using fused 1,2,4-triazoles for modulating the activity of 11β-hydroxysteroid dehydrogenase type 1 (11βHSD1) are described. The present compounds are modulators and more specifically inhibitors of the activity of 11βHSD1 and may be useful in the treatment, prevention and/or prophylaxis of a range of medical disorders where a decreased intracellular concentration of active glucocorticoid is desirable, including type 2 diabetes and metabolic syndrome.

  本文介绍了使用熔合的1,2,4-三唑类物质来调节11β-羟基类固醇脱氢酶1型（11βHSD1）活性的方法。这些化合物是调节剂，更具体地说是11βHSD1活性的抑制剂，可用于治疗、预防和/或预防一系列医学疾病，其中降低细胞内活性糖皮质激素浓度是有益的，包括2型糖尿病和代谢综合征。
• Fused 1,2,4-triazoles and pharmaceutical uses thereof
  申请人：NOVO NORDISK A/S

  公开号：EP1785424A2

  公开（公告）日：2007-05-16

  The use of fused 1,2,4-triazoles for modulating the activity of 11 β-hydroxysteroid dehydrogenase type 1 (11βHSD1) and the use of these compounds as pharmaceutical compositions has been described. Also a novel class of fused 1,2,4-triazoles, their use in therapy, pharmaceutical compositions comprising the compounds, as well as their use in the manufacture of medicaments has been described. The present compounds are modulators and more specifically inhibitors of the activity of 11βHSD1 and may be useful in the treatment, prevention and/or prophylaxis of a range of medical disorders where a decreased intracellular concentration of active glucocorticoid is desirable.

  本文介绍了融合的 1,2,4-三唑在调节 11 β-羟基类固醇脱氢酶 1 型（11βHSD1）活性方面的用途，以及这些化合物作为药物组合物的用途。此外，还介绍了一类新型融合 1,2,4-三唑、它们在治疗中的用途、包含这些化合物的药物组合物以及它们在制造药物中的用途。本化合物是 11βHSD1 活性的调节剂，更具体地说是抑制剂，可用于治疗、预防和/或预防一系列需要降低细胞内活性糖皮质激素浓度的疾病。